N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide

C14H20N2OS — CID 79217970

IUPACN-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC1(CN)CCCC1
InChIInChI=1S/C14H20N2OS/c1-18-12-7-3-2-6-11(12)13(17)16-14(10-15)8-4-5-9-14/h2-3,6-7H,4-5,8-10,15H2,1H3,(H,16,17)
InChIKeyVVXYKJJMITWOOO-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide

N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide (PubChem CID 79217970) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide
PubChem CID79217970
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC1(CN)CCCC1
InChIInChI=1S/C14H20N2OS/c1-18-12-7-3-2-6-11(12)13(17)16-14(10-15)8-4-5-9-14/h2-3,6-7H,4-5,8-10,15H2,1H3,(H,16,17)
InChIKeyVVXYKJJMITWOOO-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(bromomethyl)cyclohexyl]-2-methylsulfanylbenzamide
CID 114313986
N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide
CID 119566240
N-[1-(aminomethyl)cyclopentyl]naphthalene-1-carboxamide
CID 63753414
N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide
CID 63754520
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride
CID 119568451
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide (CID 79217970) is N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide?
The InChIKey is VVXYKJJMITWOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-12-7-3-2-6-11(12)13(17)16-14(10-15)8-4-5-9-14/h2-3,6-7H,4-5,8-10,15H2,1H3,(H,16,17).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide?
N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide has a molecular weight of 264.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 79217970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).